2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chloranylbenzoate

Systemtic Name: 2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chloranylbenzoate Openeye Name: 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl ester IUPAC Name: 2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C20H14ClN5O2 MolecularWeight: 391.81046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC=C(C=C4)Cl)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC=C(C=C4)Cl)N)C#N

InChI

InChI=1S/C20H14ClN5O2/c21-13-7-5-12(6-8-13)20(27)28-10-9-26-18(23)14(11-22)17-19(26)25-16-4-2-1-3-15(16)24-17/h1-8H,9-10,23H2